{"id":{"repo_id":"unt","oai_identifier":"info:ark/67531/metadc4626"},"canonical_url":"https://search.dev.ndltd.org/etd/unt/info:ark/67531/metadc4626","repository":{"repo_id":"unt","name":"University of North Texas","base_url":"https://digital.library.unt.edu/oai/"},"display":{"title":"Thermodynamics of Mobile Order Theory: Solubility and Partition Aspects","abstract":"The purpose of this thesis is to analyze the thermochemical properties of solutes in nonelectrolyte pure solvents and to develop mathematical expressions with the ability to describe and predict solution behavior using mobile order theory. Solubilities of pesticides (monuron, diuron, and hexachlorobenzene), polycyclic aromatic hydrocarbons (biphenyl, acenaphthene, and phenanthrene), and the organometallic ferrocene were studied in a wide array of solvents. Mobile order theory predictive equations were derived and percent average absolute deviations between experimental and calculated mole fraction solubilities for each solute were as follows: monuron in 21 non-alcoholic solvents (48.4%), diuron in 28 non-alcoholic solvents (60.1%), hexachlorobenzene (210%), biphenyl (13.0%), acenaphthene (37.8%), phenanthrene (41.3%), and ferrocene (107.8%). Solute descriptors using the Abraham solvation model were also calculated for monuron and diuron. Coefficients in the general solvation equation were known for all the solvents and solute descriptors calculated using multilinear regression techniques.","abstract_html":"The purpose of this thesis is to analyze the thermochemical properties of solutes in nonelectrolyte pure solvents and to develop mathematical expressions with the ability to describe and predict solution behavior using mobile order theory. Solubilities of pesticides (monuron, diuron, and hexachlorobenzene), polycyclic aromatic hydrocarbons (biphenyl, acenaphthene, and phenanthrene), and the organometallic ferrocene were studied in a wide array of solvents. Mobile order theory predictive equations were derived and percent average absolute deviations between experimental and calculated mole fraction solubilities for each solute were as follows: monuron in 21 non-alcoholic solvents (48.4%), diuron in 28 non-alcoholic solvents (60.1%), hexachlorobenzene (210%), biphenyl (13.0%), acenaphthene (37.8%), phenanthrene (41.3%), and ferrocene (107.8%). Solute descriptors using the Abraham solvation model were also calculated for monuron and diuron. Coefficients in the general solvation equation were known for all the solvents and solute descriptors calculated using multilinear regression techniques.","abstract_has_math":false,"creators":["De Fina, Karina M."],"institution":"University of North Texas","degree_name":null,"degree_level":null,"degree_discipline":null,"degree_department":null,"school":null,"contributors":["Acree, William E.","Theriot, Leroy James"],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2004,"date_issued":"2004-08","date_published":"2004-08","updated_at":"2026-07-24T05:35:09Z","subjects":["Solubility.","Solvents.","Solution (Chemistry)","polycyclic aromatic hydrocarbons","mobile order theory","solubility","partition coefficients","pesticides"],"languages":["English"],"rights":["Public","Copyright","De Fina, Karina M.","Copyright is held by the author, unless otherwise noted. 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Mobile order theory predictive equations were derived and percent average absolute deviations between experimental and calculated mole fraction solubilities for each solute were as follows: monuron in 21 non-alcoholic solvents (48.4%), diuron in 28 non-alcoholic solvents (60.1%), hexachlorobenzene (210%), biphenyl (13.0%), acenaphthene (37.8%), phenanthrene (41.3%), and ferrocene (107.8%). Solute descriptors using the Abraham solvation model were also calculated for monuron and diuron. Coefficients in the general solvation equation were known for all the solvents and solute descriptors calculated using multilinear regression techniques."]},{"key":"dc:format","label":"Dc Format","values":["Text"]},{"key":"dc:title","label":"Title","values":["Thermodynamics of Mobile Order Theory: Solubility and Partition Aspects"]}]}],"canonical_facts":{"dc:contributor":["Acree, William E.","Theriot, Leroy James"],"dc:creator":["De Fina, Karina M."],"dc:date":["2004-08"],"dc:description":["The purpose of this thesis is to analyze the thermochemical properties of solutes in nonelectrolyte pure solvents and to develop mathematical expressions with the ability to describe and predict solution behavior using mobile order theory. Solubilities of pesticides (monuron, diuron, and hexachlorobenzene), polycyclic aromatic hydrocarbons (biphenyl, acenaphthene, and phenanthrene), and the organometallic ferrocene were studied in a wide array of solvents. Mobile order theory predictive equations were derived and percent average absolute deviations between experimental and calculated mole fraction solubilities for each solute were as follows: monuron in 21 non-alcoholic solvents (48.4%), diuron in 28 non-alcoholic solvents (60.1%), hexachlorobenzene (210%), biphenyl (13.0%), acenaphthene (37.8%), phenanthrene (41.3%), and ferrocene (107.8%). Solute descriptors using the Abraham solvation model were also calculated for monuron and diuron. Coefficients in the general solvation equation were known for all the solvents and solute descriptors calculated using multilinear regression techniques."],"dc:format":["Text"],"dc:identifier":["oclc: 56612863","doi: 10.12794/metadc4626","https://digital.library.unt.edu/ark:/67531/metadc4626/","ark: ark:/67531/metadc4626"],"dc:language":["English"],"dc:publisher":["University of North Texas"],"dc:rights":["Public","Copyright","De Fina, Karina M.","Copyright is held by the author, unless otherwise noted. All rights reserved."],"dc:subject":["Solubility.","Solvents.","Solution (Chemistry)","polycyclic aromatic hydrocarbons","mobile order theory","solubility","partition coefficients","pesticides"],"dc:title":["Thermodynamics of Mobile Order Theory: Solubility and Partition Aspects"],"dc:type":["Thesis or Dissertation"]},"updated_at":"2026-07-24T05:35:09Z"}